Isobutylmercaptan
Synonym(s):Isobutyl mercaptan
- CAS NO.:513-44-0
- Empirical Formula: C4H10S
- Molecular Weight: 90.19
- MDL number: MFCD00004882
- EINECS: 208-162-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:25:54
What is Isobutylmercaptan?
Chemical properties
Liquid; unpleasant odor.
Chemical properties
2-Methyl-1-propanethiol has a cooked vegetable, almost mustard-like, odor
Occurrence
Reported found in guava, milk, cooked beef, cooked pork and beer.
The Uses of Isobutylmercaptan
Flammable, dangerous fire risk.
What are the applications of Application
2-Methyl-1-propanethiol is used in the study of drug delivery and self-assembling monolayers
General Description
2-methyl-1-propanethiol attaches with L-Cys (the carrier) via a disulfide bond to form the brain-targeted drug delivery systems (BTDS).
Purification Methods
Dissolve the thiol in EtOH, and add to 0.25M Pb(OAc)2 in 50% aqueous EtOH. The precipitated lead mercaptide is filtered off, washed with a little EtOH, and impurities are removed from the molten salt by steam distillation. After cooling, dilute HCl is added dropwise to the residue, and the mercaptan is distilled directly from the flask. Water is separated from the distillate, and the mercaptan is dried (Na2CO3) and distilled under nitrogen. [Mathias J Am Chem Soc 72 1897 1950, Beilstein 1 H 378, 1 I 191, 1 II 412, 1 III 1565, 1 IV 1605.]
Properties of Isobutylmercaptan
| Melting point: | -145°C |
| Boiling point: | 87-89 °C(lit.) |
| Density | 0.831 g/mL at 25 °C(lit.) |
| vapor density | 3.1 (vs air) |
| vapor pressure | 124 mm Hg ( 37.8 °C) |
| FEMA | 3874 | 2-METHYL-1-PROPANETHIOL |
| refractive index | n |
| Flash point: | 15 °F |
| solubility | H2O: slightly soluble |
| form | liquid |
| pka | 10.41±0.10(Predicted) |
| color | Colorless to Light yellow |
| Odor | at 0.10 % in propylene glycol. cooked vegetable mustard |
| Odor Threshold | 0.0000068ppm |
| JECFA Number | 512 |
| Merck | 14,5147 |
| BRN | 1730890 |
| CAS DataBase Reference | 513-44-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Propanethiol, 2-methyl-(513-44-0) |
| EPA Substance Registry System | 1-Propanethiol, 2-methyl- (513-44-0) |
Safety information for Isobutylmercaptan
| Signal word | Danger |
| Pictogram(s) |
![]() Flame Flammables GHS02 ![]() Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Isobutylmercaptan
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